SCHEMBL1022362

SCHEMBL1022362

CN(C[C@H]1CO1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
ASGR1 P07306 1/20 0.38
CTSD P07339 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
HCRTR2 O43614 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
GAA P10253 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1022363 1.00 ALDH1A1 (0.38) ALDH1A1ASGR1CTSDCTSLCTSB
SCHEMBL16854645 0.85 ASGR1 (0.34) ALDH1A1ASGR1CTSDCTSLCTSB
SCHEMBL16854675 0.85 ASGR1 (0.34) ALDH1A1ASGR1CTSDCTSLCTSB
SCHEMBL16318667 0.84 ALDH1A1 (0.39) ALDH1A1ASGR1CTSDCTSLCTSB
SCHEMBL226255 0.82 HTR2C (0.40) ALDH1A1ASGR1HTR2CSLC6A4GAA
SCHEMBL3662388 0.82 HTR2C (0.40) ALDH1A1ASGR1HTR2CSLC6A4GAA
SCHEMBL226527 0.82 HTR2C (0.40) ALDH1A1ASGR1HTR2CSLC6A4GAA
SCHEMBL4810634 0.80 ALDH1A1 (0.38) ALDH1A1ASGR1CTSDCTSLCTSB
SCHEMBL4818666 0.80 ALDH1A1 (0.38) ALDH1A1ASGR1CTSDCTSLCTSB
SCHEMBL4810639 0.80 ALDH1A1 (0.38) ALDH1A1ASGR1CTSDCTSLCTSB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873692-B2 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-01-23 US disclosed
US-20170334901-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-11-23 US disclosed
US-9630960-B2 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-04-25 US disclosed
US-20160376264-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-12-29 US disclosed
US-9353106-B2 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-05-31 US disclosed
US-20150291580-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-10-15 US disclosed
US-8962653-B2 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-02-24 US disclosed
US-20140163063-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2014-06-12 US disclosed
US-8575192-B2 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2013-11-05 US disclosed
US-8309575-B2 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2012-11-13 US disclosed
US-20080176895-A1 Quinolinone-carboxamide compounds as 5-HT4, receptor agonists ALFASIGMA S.P.A. (IT) 2008-07-24 US disclosed
US-7375114-B2 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. (US) 2008-05-20 US disclosed
US-20080070923-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-03-20 US disclosed
US-7317022-B2 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists THERAVANCE, INC. (US) 2008-01-08 US disclosed
US-20070281970-A1 Quinolinone-Carboxamide Compounds as 5-Ht4 Receptor Agonists ALFASIGMA S.P.A. (IT) 2007-12-06 US disclosed
US-20070270457-A1 Quinolinone-carboxamide compounds as 5-HT, receptor agonists ALFASIGMA S.P.A. (IT) 2007-11-22 US disclosed
EP-1735304-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS Theravance, Inc. (US) 2006-12-27 EP disclosed
US-20060276482-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists THERAVANCE, INC. 2006-12-07 US disclosed
WO-2005100350-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2005-10-27 WO disclosed
US-20050228014-A1 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE, INC. 2005-10-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060276482-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptors agonists HTR4, HTR5A, HTR1A ALDH1A1 2503/4885ASGR1 2404/4885CTSD 2114/4885
US-20050228014-A1 Quinolinone-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR1A ALDH1A1 2540/4885ASGR1 2524/4885CTSD 1652/4885
US-20070270457-A1 Quinolinone-carboxamide compounds as 5-HT, receptor agonists HTR4, HTR5A, HTR1A ALDH1A1 2360/4885ASGR1 2555/4885CTSD 1341/4885
US-20080070923-A1 Benzoimidazolone-carboxamide compounds as 5-HT4 receptor agonists HTR4, HTR5A, HTR1A ALDH1A1 2569/4885ASGR1 2559/4885CTSD 2001/4885
US-20160376264-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A ALDH1A1 2540/4885ASGR1 2524/4885CTSD 1652/4885
US-20150291580-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A ALDH1A1 2540/4885ASGR1 2524/4885CTSD 1652/4885
US-20080176895-A1 Quinolinone-carboxamide compounds as 5-HT4, receptor agonists HTR4, HTR5A, HTR1A ALDH1A1 2659/4885ASGR1 2706/4885CTSD 1384/4885
US-20170334901-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A ALDH1A1 2540/4885ASGR1 2524/4885CTSD 1652/4885
US-20070281970-A1 Quinolinone-Carboxamide Compounds as 5-Ht4 Receptor Agonists HTR4, HTR7, HTR3C ALDH1A1 2408/4885ASGR1 2232/4885CTSD 1534/4885
US-20140163063-A1 QUINOLINONE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A ALDH1A1 2540/4885ASGR1 2524/4885CTSD 1652/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.